N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide

C17H17N5O2 — CID 168607043

IUPACN-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(NC(C#N)=C(C#N)C#N)ccc1OC
InChIInChI=1S/C17H17N5O2/c1-3-4-5-17(23)22-14-8-13(6-7-16(14)24-2)21-15(11-20)12(9-18)10-19/h6-8,21H,3-5H2,1-2H3,(H,22,23)
InChIKeyUDWGGULQCVOGKO-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.06
Rot. Bonds7

About N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide

N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide (PubChem CID 168607043) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide
PubChem CID168607043
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(NC(C#N)=C(C#N)C#N)ccc1OC
InChIInChI=1S/C17H17N5O2/c1-3-4-5-17(23)22-14-8-13(6-7-16(14)24-2)21-15(11-20)12(9-18)10-19/h6-8,21H,3-5H2,1-2H3,(H,22,23)
InChIKeyUDWGGULQCVOGKO-UHFFFAOYSA-N
XLogP3.06
TPSA121.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 50949902
N-[2-chloro-4-(1,2,2-tricyanoethenylamino)phenyl]butanamide
CID 168607949
N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide
CID 50973633
N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
CID 46999025
N-[4-(1,2,2-tricyanoethenylamino)phenyl]butanamide
CID 168609139
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
N-[4-(2-methoxyanilino)phenyl]pentanamide
CID 112987324
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide?
The IUPAC name of N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide (CID 168607043) is N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide.
What is the SMILES notation for N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide?
The canonical SMILES for N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide is CCCCC(=O)Nc1cc(NC(C#N)=C(C#N)C#N)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide?
The InChIKey is UDWGGULQCVOGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-4-5-17(23)22-14-8-13(6-7-16(14)24-2)21-15(11-20)12(9-18)10-19/h6-8,21H,3-5H2,1-2H3,(H,22,23).
What are the key properties of N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide?
N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide has a molecular weight of 323.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide is sourced from PubChem (CID 168607043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).